ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate

C16H19N3O3S — CID 36759343

IUPACethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H19N3O3S/c1-4-22-16(21)19-18-14(20)13-9-23-15(17-13)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKDXYXKLHJWDPQB-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.32
Rot. Bonds4

About ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate

ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate (PubChem CID 36759343) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate
PubChem CID36759343
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Nameethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate
SMILESCCOC(=O)NNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1
InChIInChI=1S/C16H19N3O3S/c1-4-22-16(21)19-18-14(20)13-9-23-15(17-13)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyKDXYXKLHJWDPQB-UHFFFAOYSA-N
XLogP3.32
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 55555267
N-methylsulfonyl-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 146154242
ethyl N-[[2-(4-bromothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 47336082
ethyl 1-[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate
CID 36710487
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 31861373
N-(2-fluoro-3-hydroxypropyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155969715
N,N-bis(2-methoxyethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55555192
N-(1-methylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36749788
N-(3-methyl-1,2,4-triazol-4-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 155959659
N,N-bis(2-hydroxyethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71908641
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 24672388
2-[4-(2-methylpropoxy)phenyl]-1,3-thiazole-4-carbohydrazide
CID 82515992

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate?
The IUPAC name of ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate (CID 36759343) is ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate.
What is the SMILES notation for ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate?
The canonical SMILES for ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate is CCOC(=O)NNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1.
What is the InChIKey of ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate?
The InChIKey is KDXYXKLHJWDPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-4-22-16(21)19-18-14(20)13-9-23-15(17-13)12-7-5-11(6-8-12)10(2)3/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate?
ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate has a molecular weight of 333.41 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carbonyl]amino]carbamate is sourced from PubChem (CID 36759343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).